| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Phosphodiesterase |
|---|
| Ligand | BDBM50527537 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1902815 (CHEMBL4405037) |
|---|
| Ki | 31±n/a nM |
|---|
| Citation |  Salado, IG; Singh, AK; Moreno-Cinos, C; Sakaine, G; Siderius, M; Van der Veken, P; Matheeussen, A; van der Meer, T; Sadek, P; Gul, S; Maes, L; Sterk, GJ; Leurs, R; Brown, D; Augustyns, K Lead Optimization of Phthalazinone Phosphodiesterase Inhibitors as Novel Antitrypanosomal Compounds. J Med Chem63:3485-3507 (2020) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Phosphodiesterase |
|---|
| Name: | Phosphodiesterase |
|---|
| Synonyms: | Class 1 phosphodiesterase PDEB1 | Class I phosphodiesterase B1 (TbrPDEB1) | PDEB1 |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 103683.20 |
|---|
| Organism: | Trypanosoma brucei |
|---|
| Description: | n/a |
|---|
| Residue: | 930 |
|---|
| Sequence: | MFMNKPFGSKRCEPFHESEHLCEAFAITEAILARYQRGKRSFTSSEKSGLAALIKRIPYD
ILVEVLDQSGFTPTSNATPPVDYLAMMEHTMTHGASITHALQYLNDLMTKCTGCPGIRTY
YHNPNDDVLADPVHDTAALIDETTAVGKSVVTKQYLNIAGAHYIPLIHGDIVVGCVEVPR
FSGNLEKLPSFPSLIRAVTCTAHKFIEEARINWNREKAEAMLQMATRLARDNLDETVLAS
SIMNTVKSLTESARCSLFLVKDDKLEAHFEDGNVVSIPKGTGIVGYVAQTGETVNIVDAY
ADDRFNREVDKATGYRTKTILCMPVMYEGTIVAVTQLINKLDLTTESGLRLPRVFGKRDE
ELFQTFSMFAGASLRNCRINDRLLKEKKKSDVILDVVTVLSNTDIRDVDGIVRHALHGAK
KLLNADRSTLFLVDKERNELCSRMADSVAGKEIRFPCGQGIAGTVAASGVGENIQDAYQD
PRFNREVDKQLGYRTQTILCEPIILNGEILAVVQLVNKLDTSGEVTVFTEDDRDTFRVFS
LFAGISINNSHLLEFAVKAGREVMELNEHRATLFNKNVPSRAVKRVTAITKVEREAVLVC
ELPSFDVTDVEFDLFRARESTDKPLDVAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCR
KKYRNVPYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLITALVHDLDHMGLNNSF
YLKTESPLGILSSASGNTSVLEVHHCNLAVEILSDPESDVFDGLEGAERTLAFRSMIDCV
LATDMAKHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISNVTKPFDISRQWAMAV
TEEFYRQGDMEKERGVEVLPMFDRSKNMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWT
VDRIKSNRAQWERVLETRLSTSSGNNSSTR
|
|
|
|---|
| BDBM50527537 |
|---|
| n/a |
|---|
| Name | BDBM50527537 |
|---|
| Synonyms: | CHEMBL4453005 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C33H42N4O6 |
|---|
| Mol. Mass. | 590.7098 |
|---|
| SMILES | [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCN(CC1)C(=O)CN1C(=O)CC3(CCCCC3)CC1=O)C2=O)c1ccc(OC)c(OC)c1 |r,c:3,9| |
|---|
| Structure | 
|
|---|
Search and Browse
